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ChEBI
> Main
CHEBI:16175 - cholest-4-en-3-one
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ChEBI Ontology
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ChEBI Name
cholest-4-en-3-one
ChEBI ID
CHEBI:16175
Definition
A cholestanoid that is cholest-4-ene substituted by an oxo group at position 3.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:3657, CHEBI:13979, CHEBI:23171, CHEBI:86563
Supplier Information
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Formula
C27H44O
Net Charge
0
Average Mass
384.63766
Monoisotopic Mass
384.33922
InChI
InChI=1S/C27H44O/c1-
18(2)
7-
6-
8-
19(3)
23-
11-
12-
24-
22-
10-
9-
20-
17-
21(28)
13-
15-
26(20,4)
25(22)
14-
16-
27(23,24)
5/h17-
19,22-
25H,6-
16H2,1-
5H3/t19-
,22+,23-
,24+,25+,26+,27-
/m1/s1
InChIKey
NYOXRYYXRWJDKP-GYKMGIIDSA-N
SMILES
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C
Metabolite of Species
Details
Croton hieronymi
(IPNI:342670-1)
Found in aerial part
(BTO:0001658)
. See:
PubMed
Homo sapiens
(NCBI:txid9606)
See:
PubMed
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
cholest-4-en-3-one (
CHEBI:16175
)
has role
human metabolite (
CHEBI:77746
)
cholest-4-en-3-one (
CHEBI:16175
)
has role
plant metabolite (
CHEBI:76924
)
cholest-4-en-3-one (
CHEBI:16175
)
is a
3-oxo-Δ
4
steroid (
CHEBI:47909
)
cholest-4-en-3-one (
CHEBI:16175
)
is a
cholestanoid (
CHEBI:50401
)
Incoming
25-hydroxycholest-4-en-3-one (
CHEBI:155845
)
has functional parent
cholest-4-en-3-one (
CHEBI:16175
)
26-hydroxycholest-4-en-3-one (
CHEBI:63640
)
has functional parent
cholest-4-en-3-one (
CHEBI:16175
)
3-ketocholest-4-en-26-al (
CHEBI:83746
)
has functional parent
cholest-4-en-3-one (
CHEBI:16175
)
7α,25-dihydroxy-4-cholesten-3-one (
CHEBI:81013
)
has functional parent
cholest-4-en-3-one (
CHEBI:16175
)
IUPAC Name
cholest-4-en-3-one
Synonyms
Sources
4-cholesten-3-one
ChEBI
4-Cholesten-3-one
KEGG COMPOUND
Cholest-4-en-3-one
KEGG COMPOUND
cholest-4-en-3-one
UniProt
Cholestenone
KEGG COMPOUND
Manual Xrefs
Databases
C00036093
KNApSAcK
C00599
KEGG COMPOUND
CPD-323
MetaCyc
FDB022319
FooDB
HMDB0000921
HMDB
K2B
PDBeChem
LMST01010015
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
601-57-0
CAS Registry Number
KEGG COMPOUND
601-57-0
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
10566877
PubMed citation
Europe PMC
11958788
PubMed citation
Europe PMC
12036855
PubMed citation
Europe PMC
12777473
PubMed citation
Europe PMC
12943786
PubMed citation
Europe PMC
14597406
PubMed citation
Europe PMC
17496168
PubMed citation
Europe PMC
20671299
PubMed citation
Europe PMC
24465993
PubMed citation
Europe PMC
24565079
PubMed citation
Europe PMC
24927729
PubMed citation
Europe PMC
29201491
PubMed citation
Europe PMC
29413944
PubMed citation
Europe PMC
29573289
PubMed citation
Europe PMC
31477154
PubMed citation
Europe PMC
6892636
PubMed citation
Europe PMC
Last Modified
17 June 2020